element(s): ['Al'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.039'] model name: MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 16:13:06 -13.439711 0.034565 BFGS: 1 16:13:06 -13.439760 0.031494 BFGS: 2 16:13:06 -13.440000 0.000234 BFGS: 3 16:13:06 -13.440000 0.000002 BFGS: 4 16:13:06 -13.440000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.022517373737234e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.044650787208147, 6.348789302037054e-34, -5.060625648512178e-34], [4.4512597490147655e-34, 4.044650787208147, 1.1670255355821432e-21], [4.3109331419900237e-35, 1.167025535581635e-21, 4.044650787208147]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.02251737e-12 -5.02251737e-12 -5.02251737e-12 -8.02845904e-30 7.84850908e-36 2.34497634e-52] energy per atom = -3.3599999999999395 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0